Crystallography Open Database

Information card for entry 7231083

Preview

Coordinates	7231083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H144 Br6 N16 O10 S
Calculated formula	C92 H144 Br6 N16 O10 S
Title of publication	Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality
Authors of publication	Manna, Utsab; Das, Gopal
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	31
Pages of publication	4406
a	13.738 ± 0.002 Å
b	16.583 ± 0.003 Å
c	25.631 ± 0.004 Å
α	108.151 ± 0.015°
β	97.637 ± 0.012°
γ	93.047 ± 0.014°
Cell volume	5471.6 ± 1.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1626
Residual factor for significantly intense reflections	0.099
Weighted residual factors for significantly intense reflections	0.2657
Weighted residual factors for all reflections included in the refinement	0.3247
Goodness-of-fit parameter for all reflections included in the refinement	1.193
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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